methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate

C24H25N3O3S — CID 142738884

IUPACmethyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C24H25N3O3S/c1-30-24(29)19-9-5-8-18(14-19)23-25-15-21(31-23)22(28)26-20-10-12-27(13-11-20)16-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,26,28)
InChIKeyPLESZKHCFSDXNF-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.99
Rot. Bonds6

About methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate

methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate (PubChem CID 142738884) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
PubChem CID142738884
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Namemethyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C24H25N3O3S/c1-30-24(29)19-9-5-8-18(14-19)23-25-15-21(31-23)22(28)26-20-10-12-27(13-11-20)16-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,26,28)
InChIKeyPLESZKHCFSDXNF-UHFFFAOYSA-N
XLogP3.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
CID 117083185
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
methyl 3-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]pyrimidin-2-yl]benzoate
CID 67006710
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
CID 164590008
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate?
The IUPAC name of methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate (CID 142738884) is methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate is COC(=O)c1cccc(-c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1.
What is the InChIKey of methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate?
The InChIKey is PLESZKHCFSDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-30-24(29)19-9-5-8-18(14-19)23-25-15-21(31-23)22(28)26-20-10-12-27(13-11-20)16-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,26,28).
What are the key properties of methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate?
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate has a molecular weight of 435.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate is sourced from PubChem (CID 142738884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).